2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)-1-propanone - CAS 101991-76-8
Catalog: |
BB000724 |
Product Name: |
2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)-1-propanone |
CAS: |
101991-76-8 |
Synonyms: |
2-(2,4-dichlorophenoxy)-1-(1-piperidinyl)-1-propanone; 2-(2,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one |
IUPAC Name: | 2-(2,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one |
Description: | 2-(2,4-Dichlorophenoxy)-1-(1-piperidyl)-1-propanone (CAS# 101991-76-8 ) is a useful research chemical. |
Molecular Weight: | 302.20 |
Molecular Formula: | C14H17Cl2NO2 |
Canonical SMILES: | CC(C(=O)N1CCCCC1)OC2=C(C=C(C=C2)Cl)Cl |
InChI: | InChI=1S/C14H17Cl2NO2/c1-10(14(18)17-7-3-2-4-8-17)19-13-6-5-11(15)9-12(13)16/h5-6,9-10H,2-4,7-8H2,1H3 |
InChI Key: | KQSVEWNCWPLKQV-UHFFFAOYSA-N |
LogP: | 0.00000 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.0636342 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.0636342 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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